2-(2,5-dimethylphenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide

C17H24N2O2S — CID 35499280

IUPAC2-(2,5-dimethylphenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
SMILESCc1ccc(C)c(SCC(=O)NCCCN2CCCC2=O)c1
InChIInChI=1S/C17H24N2O2S/c1-13-6-7-14(2)15(11-13)22-12-16(20)18-8-4-10-19-9-3-5-17(19)21/h6-7,11H,3-5,8-10,12H2,1-2H3,(H,18,20)
InChIKeySDEZGKKULJSDLN-UHFFFAOYSA-N
MW320.46 g/mol
LogP2.52
Rot. Bonds7

About 2-(2,5-dimethylphenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide

2-(2,5-dimethylphenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide (PubChem CID 35499280) has the molecular formula C17H24N2O2S and a molecular weight of 320.46 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
PubChem CID35499280
Molecular FormulaC17H24N2O2S
Molecular Weight320.46 g/mol
Exact Mass320.16
IUPAC Name2-(2,5-dimethylphenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
SMILESCc1ccc(C)c(SCC(=O)NCCCN2CCCC2=O)c1
InChIInChI=1S/C17H24N2O2S/c1-13-6-7-14(2)15(11-13)22-12-16(20)18-8-4-10-19-9-3-5-17(19)21/h6-7,11H,3-5,8-10,12H2,1-2H3,(H,18,20)
InChIKeySDEZGKKULJSDLN-UHFFFAOYSA-N
XLogP2.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(2,5-dimethylphenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,5-dichlorophenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 8787363
2-(2-chlorophenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 35498934
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 2510036
3-(3,4-dimethylphenyl)sulfanyl-N-[3-(2-oxoazepan-1-yl)propyl]propanamide
CID 78791575
2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 8797789
2-(4-chlorophenyl)sulfanyl-N-[3-(2-oxoazepan-1-yl)propyl]acetamide
CID 78779568
N-[3-(2-oxopyrrolidin-1-yl)propyl]butanamide
CID 123515256
2-methyl-N-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl]benzamide
CID 46522177
2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 42999196
3-[(3,4-dimethylphenyl)sulfonylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]propanamide
CID 30482085
2-(2,5-dimethylphenyl)sulfanyl-N-(2-hydroxy-2-methylpropyl)acetamide
CID 65109465
2-[3-(4-methylphenyl)-6-oxo-4,5-dihydropyridazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 20968345

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The IUPAC name of 2-(2,5-dimethylphenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide (CID 35499280) is 2-(2,5-dimethylphenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide.
What is the SMILES notation for 2-(2,5-dimethylphenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The canonical SMILES for 2-(2,5-dimethylphenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide is Cc1ccc(C)c(SCC(=O)NCCCN2CCCC2=O)c1.
What is the InChIKey of 2-(2,5-dimethylphenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The InChIKey is SDEZGKKULJSDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2S/c1-13-6-7-14(2)15(11-13)22-12-16(20)18-8-4-10-19-9-3-5-17(19)21/h6-7,11H,3-5,8-10,12H2,1-2H3,(H,18,20).
What are the key properties of 2-(2,5-dimethylphenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
2-(2,5-dimethylphenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide has a molecular weight of 320.46 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide is sourced from PubChem (CID 35499280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).